SCHEMBL7983860

SCHEMBL7983860

O=Cc1cc(-c2sc3ccccc3c2Cc2ccc(OCCN3CCCC3)cc2)ccc1OCCCC(=O)O.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.53
ESR1 P03372 9/20 0.51
ESR2 Q92731 9/20 0.51
ITGA4 P13612 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6604504 0.92 F2 (0.58) F2ESR1ESR2ITGA4
SCHEMBL7983864 0.92 F2 (0.52) F2ESR1ESR2ITGA4
SCHEMBL6603846 0.91 ESR1 (0.52) F2ESR1ESR2ITGA4
SCHEMBL6605492 0.91 F2 (0.53) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL7989671 0.91 ESR1 (0.50) F2ESR1ESR2ITGA4
SCHEMBL7452480 0.90 F2 (0.53) F2ESR1ESR2ITGA4
SCHEMBL6606507 0.86 F2 (0.57) F2ESR1ESR2ITGA4
Lithium SCHEMBL6611346 0.86 F2 (0.49) F2ESR1ESR2ITGA4
SCHEMBL6611328 0.86 F2 (0.49) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL7982005 0.85 F2 (0.59) F2ESR1ESR2ITGA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284756-B1 ANTICOAGULANT ELI LILLY AND COMPANY 2001-09-04 US disclosed